N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide

C18H26N4O2 — CID 35966346

IUPACN-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCn1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H26N4O2/c1-22-5-3-15(21-22)20-16(23)2-4-19-17(24)18-9-12-6-13(10-18)8-14(7-12)11-18/h3,5,12-14H,2,4,6-11H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyMQURUYCXRUHXCS-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.08
Rot. Bonds5

About N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 35966346) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID35966346
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCn1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H26N4O2/c1-22-5-3-15(21-22)20-16(23)2-4-19-17(24)18-9-12-6-13(10-18)8-14(7-12)11-18/h3,5,12-14H,2,4,6-11H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyMQURUYCXRUHXCS-UHFFFAOYSA-N
XLogP2.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide (CID 35966346) is N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide is Cn1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is MQURUYCXRUHXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-22-5-3-15(21-22)20-16(23)2-4-19-17(24)18-9-12-6-13(10-18)8-14(7-12)11-18/h3,5,12-14H,2,4,6-11H2,1H3,(H,19,24)(H,20,21,23).
What are the key properties of N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 35966346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).